Registration Dossier
Registration Dossier
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EC number: 614-482-0 | CAS number: 68439-46-3
Water solubility
Administrative data
Link to relevant study record(s)
Description of key information
1. estimated by calculation (based on structure and fragments): 0.0169 – 0.0693 g/L (Lyman et al.)
2. estimated by calculation (based on fragments): 0.0946 -0.247 g/L (EPIsuite v4.10, WATERNT v 1.01 est)
3. estimated by calculation (based on calculated log Pow): 0.0437 – 0.157 g/L (EPIsuite v4.10, WSKOW v1.41)
4. estimated by calculation (based on fragments, weight-averaged): 0.1743 g/L (EPIsuite v4.10, WATERNT v 1.01 est)
Key value for chemical safety assessment
- Water solubility:
- 138.2 mg/L
- at the temperature of:
- 25 °C
Additional information
The key value for chemical safety assessment is derived from the various calculated water solubility values (average of values: 102.13 mg/L and 174.3 mg/L) for Alcohols, C9-11, Ethoxylated (EO < 2.5) (CAS 68439-46-3).
The following types of calculations were applied:
1. a combination of calculations according to Lyman et al. (1990) and EPIsuite v4.10 (structures considered in calculations not further specified); the average of the overall range (water solubility 46.66 – 157.6 mg/L), i.e. 102.13 mg/L, was used in the calculation to derive the key value
2. based on EPIsuite v 4.10, WATERNT v 1.01 est, water solubility values for (possible) individual constituents of the substance; a weighting based on normalized composition was applied to derive a water solubility value for the whole substance.
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